• Bulletin of the Korean Chemical Society
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• v.14 no.3
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• pp.404-411
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• 1993

• Bulletin of the Korean Chemical Society
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• v.21 no.5
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• pp.461-462
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• 2000

• Bulletin of the Korean Chemical Society
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• v.16 no.12
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• pp.1225-1227
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• 1995

• Bulletin of the Korean Chemical Society
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• v.19 no.6
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• pp.615-616
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• 1998

• Bulletin of the Korean Chemical Society
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• v.18 no.4
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• pp.360-361
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• 1997

• Bulletin of the Korean Chemical Society
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• v.33 no.5
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• pp.1561-1565
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• 2012

The structures of the four lowest alanine conformers, along with their radical cations and the effect of ionization on the intramolecular proton transfer process, are studied using the density functional theory and MP2 method. The energy order of the radical cations of alanine differs from that of the corresponding neutral conformers due to changes in the basicity of the $NH_2$ group upon ionization. Ionization favors the intramolecular proton transfer process, leading to a proton-transferred radical-cation structure, [$NH_3{^+}-CHCH_3-COO{\bullet}$], which contrasts with the fact that a proton-transferred zwitterionic conformer is not stable for a neutral alanine in the gas phase. The energy barrier during the proton transfer process is calculated to be about 6 kcal/mol.

• Proceedings of the KSR Conference
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• 2011.05a
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• pp.568-573
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• 2011

Carbon dioxide concentration of railroad passenger cabin is obliged to be kept lower than guideline values of 'Indoor air quality guideline for public transportations', but actual carbon dioxide concentration frequently exceeds this guideline value. Ventilation is most desirable to lower carbon dioxide concentration but there are some cases when the ventilation is not applicable. In this study, carbon dioxide concentration control method using adsorbents was presented. The cation of zeolites were exchanged with various kinds of cations, and the carbon dioxide adsorption performance of the zeolites were studied. The various kinds of cations, solvents, and zeolites were introduced, and it was found that some cation-exchanged zeolites showed good carbon dioxide adsorption performances. It is expected that the obtained results will be used to lower carbon dioxide concentration of railroad passenger cabin.

• Bulletin of the Korean Chemical Society
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• v.32 no.11
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• pp.3873-3879
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• 2011

The potential energy surface (PES) for the isomerizations and dissociations of the acrylonitrile radical cation was determined from the CBS-QB3 and CBS-APNO calculations. The Rice-Ramsperger-Kassel-Marcus model calculations were performed based on the PES in order to predict the competitions among the dissociation channels. The mechanisms for the loss of $H^{\bullet}$, $H_2$, $CN^{\bullet}$, HCN, and HNC were proposed. The $C_3H_2N^+$ ion formed by loss of $H^{\bullet}$ was predicted as a mixture of $CH{\equiv}C-C=NH^+$, $CH{\equiv}C-N{\equiv}CH^+$, and $CH_2=C-C{\equiv}N^+$. Furthermore $CH{\equiv}C-C{\equiv}N^{+{\bullet}}$ was formed mainly by a consecutive 1,2-H shift and 1,2-H2 elimination.

• Journal of the Korean Ceramic Society
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• v.42 no.6 s.277
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• pp.371-376
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• 2005

Phosphate glasses were prepared by melting quenching process, and glass formation and dissolution properties were studied. The glass forming region in the $K_2O-CaO-P_2O_5$ system is quietly agreed with the report by Mazurin OV et al. with $M_2O-M'O-P_2O_5$ system (M : monovalent cation, M'divalent cation). Conditionally these glasses have solubility from absorbing the moisture or water and then release elements with trace elements, and the thermal and chemical properties were controllable by the $CaO,\;K_2O,\;P_2O_5$ contents. In the abnormal glass properties, this paper showed the possibility the present glasses can be a good candidate for one component of the slow released agriculture fertilizer.

• 한국전기화학회:학술대회논문집
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• 1998.10a
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• pp.74-74
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• 1998